Information card for entry 9005833

Structure parameters

• Mineral name: Baddeleyite
• Formula: O2 Zr
• Calculated formula: O2 Zr
• SMILES: [Zr+4].[O-2].[O-2]
• Title of publication: In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 15 kbar
• Authors of publication: Kudoh, Y.; Takeda, H.; Arashi, H.
• Journal of publication: Physics and Chemistry of Minerals
• Year of publication: 1986
• Journal volume: 13
• Pages of publication: 233 - 237
• a: 5.12 Å
• b: 5.216 Å
• c: 5.281 Å
• α: 90°
• β: 99.01°
• γ: 90°
• Cell volume: 139.294 ų
• Ambient diffracton pressure: 1500000 kPa
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No